SCHEMBL4194024

SCHEMBL4194024

O=C(O)Cc1cccc2c(O)nccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
AKR1B1 P15121 1/20 0.47
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11311256 0.82 TDP1 (0.53) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL69234 0.82 TDP1 (0.76) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL29564952 0.82 TDP1 (0.76) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL11248912 0.80 TDP1 (0.50) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL11261355 0.80 TDP1 (0.50) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL11251835 0.80 TDP1 (0.54) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL11261303 0.78 TDP1 (0.49) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL11249116 0.77 TDP1 (0.47) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL11260439 0.77 TDP1 (0.47) TDP1KDM4EMAPTCYP1A2AKR1B1
SCHEMBL3064043 0.77 KDM4E (0.65) TDP1KDM4EMAPTCYP1A2AKR1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP claimed